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	hartrees
Energy at 0K	-307.093661
Energy at 298.15K	-307.103143
HF Energy	-305.964147
Nuclear repulsion energy	239.534044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3916	3916	67.62
2	A	3180	3180	30.14
3	A	3165	3165	30.29
4	A	3160	3160	28.19
5	A	3139	3139	0.06
6	A	3109	3109	20.81
7	A	3094	3094	10.08
8	A	3082	3082	23.14
9	A	1928	1928	323.72
10	A	1535	1535	7.20
11	A	1525	1525	7.81
12	A	1521	1521	1.72
13	A	1507	1507	9.30
14	A	1450	1450	20.90
15	A	1438	1438	35.10
16	A	1416	1416	18.11
17	A	1352	1352	1.05
18	A	1318	1318	0.18
19	A	1297	1297	77.76
20	A	1254	1254	122.11
21	A	1144	1144	4.21
22	A	1116	1116	59.05
23	A	1086	1086	6.82
24	A	951	951	1.85
25	A	914	914	1.47
26	A	898	898	7.16
27	A	769	769	13.40
28	A	740	740	31.09
29	A	629	629	69.24
30	A	579	579	70.35
31	A	441	441	2.47
32	A	337	337	1.28
33	A	247	247	0.02
34	A	190	190	0.03
35	A	92	92	0.21
36	A	40	40	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	1.186	-0.147	0.076
C2	-0.234	-0.395	0.520
C3	-1.258	0.247	-0.428
C4	-2.694	-0.047	0.005
O5	1.499	1.165	0.116
O6	1.962	-0.982	-0.289
H7	-0.376	-1.476	0.566
H8	-0.358	0.019	1.526
H9	-1.092	-0.136	-1.441
H10	-1.087	1.326	-0.461
H11	-3.413	0.412	-0.680
H12	-2.884	-1.124	0.023
H13	-2.884	0.346	1.009
H14	2.405	1.229	-0.196

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5079	2.5262	3.8825	1.3492	1.1968	2.1086	2.1246	2.7373	2.7613	4.6939	4.1858	4.2050	1.8583
C2	1.5079		1.5361	2.5382	2.3660	2.4121	1.0915	1.0952	2.1564	2.1570	3.4924	2.7931	2.7956	3.1798
C3	2.5262	1.5361		1.5292	2.9561	3.4487	2.1760	2.1634	1.0957	1.0934	2.1759	2.1742	2.1731	3.7990
C4	3.8825	2.5382	1.5292		4.3663	4.7584	2.7812	2.7884	2.1609	2.1649	1.0932	1.0944	1.0946	5.2602
O5	1.3492	2.3660	2.9561	4.3663		2.2331	3.2699	2.5979	3.2912	2.6543	5.0323	4.9453	4.5476	0.9602
O6	1.1968	2.4121	3.4487	4.7584	2.2331		2.5377	3.1111	3.3717	3.8275	5.5660	4.8576	5.1898	2.2570
H7	2.1086	1.0915	2.1760	2.7812	3.2699	2.5377		1.7771	2.5176	3.0683	3.7869	2.5900	3.1323	3.9537
H8	2.1246	1.0952	2.1634	2.7884	2.5979	3.1111	1.7771		3.0607	2.4876	3.7880	3.1534	2.5991	3.4732
H9	2.7373	2.1564	1.0957	2.1609	3.2912	3.3717	2.5176	3.0607		1.7606	2.5034	2.5163	3.0743	3.9550
H10	2.7613	2.1570	1.0934	2.1649	2.6543	3.8275	3.0683	2.4876	1.7606		2.5086	3.0771	2.5206	3.5028
H11	4.6939	3.4924	2.1759	1.0932	5.0323	5.5660	3.7869	3.7880	2.5034	2.5086		1.7704	1.7708	5.8943
H12	4.1858	2.7931	2.1742	1.0944	4.9453	4.8576	2.5900	3.1534	2.5163	3.0771	1.7704		1.7706	5.7925
H13	4.2050	2.7956	2.1731	1.0946	4.5476	5.1898	3.1323	2.5991	3.0743	2.5206	1.7708	1.7706		5.4959
H14	1.8583	3.1798	3.7990	5.2602	0.9602	2.2570	3.9537	3.4732	3.9550	3.5028	5.8943	5.7925	5.4959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.172	C1	C2	H7	107.340
C1	C2	H8	108.370	C1	O5	H14	105.928
C2	C1	O5	111.691	C2	C1	O6	125.824
C2	C3	C4	111.795	C2	C3	H9	108.893
C2	C3	H10	109.073	C3	C2	H7	110.679
C3	C2	H8	109.467	C3	C4	H11	111.046
C3	C4	H12	110.846	C3	C4	H13	110.743
C4	C3	H9	109.712	C4	C3	H10	110.165
O5	C1	O6	122.478	H7	C2	H8	108.715
H9	C3	H10	107.078	H11	C4	H12	108.048
H11	C4	H13	108.071	H12	C4	H13	107.965

All results from a given calculation for C₄H₈O₂ (Butanoic acid)

using model chemistry: MP3=FULL/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C4H8O2 (Butanoic acid)

using model chemistry: MP3=FULL/6-311G**

States and conformations

All results from a given calculation for C₄H₈O₂ (Butanoic acid)